
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  112 (  904),  selected  112 , name one
# Molecule2: number of CA atoms  118 (  945),  selected  112 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   112      23_B - 134_B       1.84     1.84
  LCS_AVERAGE:     94.92

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   112      23_B - 134_B       1.84     1.84
  LCS_AVERAGE:     94.92

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90      34_B - 123_B       1.00     1.92
  LCS_AVERAGE:     67.92

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  112
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     S    23_B     S    23_B      7  112  112      5   15   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     M    24_B     M    24_B      7  112  112      5   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     Y    25_B     Y    25_B      7  112  112      5   15   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     A    26_B     A    26_B      7  112  112      5   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     K    27_B     K    27_B      7  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     H    28_B     H    28_B      7  112  112      3   30   83  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     S    29_B     S    29_B      7  112  112      9   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     A    30_B     A    30_B      4  112  112      3    4    4   13   19   26   79   93  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     Q    31_B     Q    31_B      4  112  112      3    4    4    6   24   76   82   97  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     N    32_B     N    32_B     12  112  112      9   61   88  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     Y    33_B     Y    33_B     12  112  112      6   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     Q    34_B     Q    34_B     90  112  112     37   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     P    35_B     P    35_B     90  112  112     32   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     L    36_B     L    36_B     90  112  112      3   24   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     L    37_B     L    37_B     90  112  112      3   41   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     P    38_B     P    38_B     90  112  112      5   41   89  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     G    39_B     G    39_B     90  112  112     38   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     I    40_B     I    40_B     90  112  112     16   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     K    41_B     K    41_B     90  112  112     16   69   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     I    42_B     I    42_B     90  112  112     16   73   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     K    43_B     K    43_B     90  112  112     11   69   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     T    44_B     T    44_B     90  112  112      7   16   32   83  101  105  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     L    45_B     L    45_B     90  112  112      3    4   16   22   89  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     V    46_B     V    46_B     90  112  112     12   56   82  100  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     Y    47_B     Y    47_B     90  112  112     27   72   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     G    48_B     G    48_B     90  112  112     30   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     E    49_B     E    49_B     90  112  112     27   71   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     L    50_B     L    50_B     90  112  112     31   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     T    51_B     T    51_B     90  112  112     38   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     L    52_B     L    52_B     90  112  112     38   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     M    53_B     M    53_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     T    54_B     T    54_B     90  112  112     38   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     E    55_B     E    55_B     90  112  112     35   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     F    56_B     F    56_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     V    57_B     V    57_B     90  112  112     35   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     M    58_B     M    58_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     D    59_B     D    59_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     K    60_B     K    60_B     90  112  112     27   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     G    61_B     G    61_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     S    62_B     S    62_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     S    63_B     S    63_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     L    64_B     L    64_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     P    65_B     P    65_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     D    66_B     D    66_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     H    67_B     H    67_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     T    68_B     T    68_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     H    69_B     H    69_B     90  112  112     39   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     P    70_B     P    70_B     90  112  112     32   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     Y    71_B     Y    71_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     E    72_B     E    72_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     Q    73_B     Q    73_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     T    74_B     T    74_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     G    75_B     G    75_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     Y    76_B     Y    76_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     L    77_B     L    77_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     V    78_B     V    78_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     S    79_B     S    79_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     G    80_B     G    80_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     K    81_B     K    81_B     90  112  112     39   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     I    82_B     I    82_B     90  112  112      8   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     I    83_B     I    83_B     90  112  112     38   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     L    84_B     L    84_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     Y    85_B     Y    85_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     I    86_B     I    86_B     90  112  112     24   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     E    87_B     E    87_B     90  112  112     24   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     D    88_B     D    88_B     90  112  112     31   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     K    89_B     K    89_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     K    90_B     K    90_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     Q    91_B     Q    91_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     Q    92_B     Q    92_B     90  112  112     39   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     I    93_B     I    93_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     M    94_B     M    94_B     90  112  112     28   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     A    95_B     A    95_B     90  112  112     27   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     G    96_B     G    96_B     90  112  112      8   15   82  100  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     D    97_B     D    97_B     90  112  112     27   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     S    98_B     S    98_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     W    99_B     W    99_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     C   100_B     C   100_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     I   101_B     I   101_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     P   102_B     P   102_B     90  112  112     32   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     K   103_B     K   103_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     N   104_B     N   104_B     90  112  112     32   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     V   105_B     V   105_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     H   106_B     H   106_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     H   107_B     H   107_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     H   108_B     H   108_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     A   109_B     A   109_B     90  112  112     38   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     E   110_B     E   110_B     90  112  112      6   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     I   111_B     I   111_B     90  112  112     33   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     L   112_B     L   112_B     90  112  112     11   73   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     E   113_B     E   113_B     90  112  112      3   38   84  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     N   114_B     N   114_B     90  112  112     11   66   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     S   115_B     S   115_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     V   116_B     V   116_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     A   117_B     A   117_B     90  112  112     38   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     V   118_B     V   118_B     90  112  112     39   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     E   119_B     E   119_B     90  112  112     30   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     V   120_B     V   120_B     90  112  112     27   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     F   121_B     F   121_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     A   122_B     A   122_B     90  112  112     40   74   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     P   123_B     P   123_B     90  112  112     27   73   90  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     T   124_B     T   124_B     88  112  112      5   15   79  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     R   125_B     R   125_B     88  112  112      5   36   81  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     E   126_B     E   126_B     88  112  112     15   56   82  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     E   127_B     E   127_B     88  112  112      5   43   83  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     Y   128_B     Y   128_B     88  112  112      5   66   88  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     I   129_B     I   129_B     88  112  112     27   71   88  101  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     K   130_B     K   130_B     87  112  112      4   20   80  100  104  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     Y   131_B     Y   131_B     87  112  112      4   18   57   85   97  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     L   132_B     L   132_B     87  112  112      4   26   74   88  103  106  108  108  109  110  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     D   133_B     D   133_B      3  112  112      3    3    3    4    4   40   82  102  109  109  111  111  111  111  112  112  112  112  112  112 
LCS_GDT     R   134_B     R   134_B      3  112  112      3    3    3    4    4   15   49   58  100  108  110  110  110  111  112  112  112  112  112  112 
LCS_AVERAGE  LCS_A:  85.92  (  67.92   94.92   94.92 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     40     74     90    101    104    106    108    108    109    110    111    111    111    111    112    112    112    112    112    112 
GDT PERCENT_AT  33.90  62.71  76.27  85.59  88.14  89.83  91.53  91.53  92.37  93.22  94.07  94.07  94.07  94.07  94.92  94.92  94.92  94.92  94.92  94.92
GDT RMS_LOCAL    0.38   0.57   0.75   0.97   1.04   1.18   1.23   1.23   1.38   1.53   1.65   1.65   1.65   1.65   1.84   1.84   1.84   1.84   1.84   1.84
GDT RMS_ALL_AT   1.92   1.93   1.93   1.89   1.88   1.86   1.87   1.87   1.85   1.85   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84

# Checking swapping
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  D    66_B      D    66_B
#   possible swapping detected:  D   133_B      D   133_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S    23_B      S    23_B     1.282     0    0.081   0.581     2.669   77.143   74.524
LGA    M    24_B      M    24_B     1.284     0    0.038   0.840     3.323   79.286   76.429
LGA    Y    25_B      Y    25_B     1.381     0    0.101   0.184     1.888   79.286   80.714
LGA    A    26_B      A    26_B     1.041     0    0.016   0.039     1.207   83.690   83.238
LGA    K    27_B      K    27_B     0.286     0    0.138   0.671     2.124   90.595   82.910
LGA    H    28_B      H    28_B     2.013     0    0.679   1.075     8.754   65.595   39.000
LGA    S    29_B      S    29_B     1.393     0    0.672   0.809     4.978   64.048   55.159
LGA    A    30_B      A    30_B     7.207     0    0.030   0.048     9.471   11.190    9.238
LGA    Q    31_B      Q    31_B     6.843     0    0.196   1.133    13.281   29.762   13.757
LGA    N    32_B      N    32_B     2.405     0    0.532   0.626     4.468   59.881   71.786
LGA    Y    33_B      Y    33_B     1.626     0    0.116   1.332     9.354   68.929   46.587
LGA    Q    34_B      Q    34_B     1.078     0    0.051   1.064     2.866   81.429   76.878
LGA    P    35_B      P    35_B     1.217     0    0.154   0.344     1.637   83.690   81.497
LGA    L    36_B      L    36_B     1.602     0    0.151   0.309     2.754   72.857   67.917
LGA    L    37_B      L    37_B     1.826     0    0.088   1.354     4.405   72.857   67.381
LGA    P    38_B      P    38_B     2.292     0    0.084   0.108     3.338   68.810   62.789
LGA    G    39_B      G    39_B     0.774     0    0.038   0.038     1.292   90.595   90.595
LGA    I    40_B      I    40_B     1.319     0    0.051   0.645     3.407   77.143   71.131
LGA    K    41_B      K    41_B     1.590     0    0.068   0.988     3.289   75.000   71.270
LGA    I    42_B      I    42_B     1.419     0    0.122   1.264     3.506   81.429   71.548
LGA    K    43_B      K    43_B     1.735     0    0.103   0.976     3.154   65.000   63.386
LGA    T    44_B      T    44_B     3.128     0    0.544   1.084     6.895   72.619   49.048
LGA    L    45_B      L    45_B     3.926     0    0.415   0.351     9.606   46.429   28.333
LGA    V    46_B      V    46_B     2.069     0    0.096   1.248     3.117   75.357   67.619
LGA    Y    47_B      Y    47_B     0.890     0    0.054   0.199     1.781   85.952   83.810
LGA    G    48_B      G    48_B     0.853     0    0.054   0.054     1.252   85.952   85.952
LGA    E    49_B      E    49_B     1.220     0    0.119   0.434     2.048   79.286   78.677
LGA    L    50_B      L    50_B     0.629     0    0.020   0.125     0.815   90.476   90.476
LGA    T    51_B      T    51_B     0.762     0    0.129   1.135     2.881   88.214   80.612
LGA    L    52_B      L    52_B     0.650     0    0.069   0.234     1.487   90.595   88.274
LGA    M    53_B      M    53_B     0.698     0    0.040   0.084     0.753   90.476   90.476
LGA    T    54_B      T    54_B     0.736     0    0.165   0.313     1.050   88.214   89.184
LGA    E    55_B      E    55_B     0.848     0    0.039   0.506     1.567   88.214   86.508
LGA    F    56_B      F    56_B     0.520     0    0.021   0.116     1.239   95.238   91.429
LGA    V    57_B      V    57_B     0.699     0    0.038   0.117     1.310   92.857   87.959
LGA    M    58_B      M    58_B     0.066     0    0.055   0.944     4.642  100.000   89.107
LGA    D    59_B      D    59_B     0.520     0    0.045   0.499     1.943   92.857   89.464
LGA    K    60_B      K    60_B     0.781     0    0.053   0.633     6.903   90.476   63.016
LGA    G    61_B      G    61_B     0.319     0    0.301   0.301     0.786   97.619   97.619
LGA    S    62_B      S    62_B     0.386     0    0.162   0.594     2.020   90.595   87.857
LGA    S    63_B      S    63_B     0.497     0    0.042   0.620     1.598  100.000   93.889
LGA    L    64_B      L    64_B     0.534     0    0.030   0.720     3.182   92.857   84.345
LGA    P    65_B      P    65_B     0.588     0    0.063   0.074     0.701   92.857   91.837
LGA    D    66_B      D    66_B     0.219     0    0.023   0.449     1.066  100.000   96.488
LGA    H    67_B      H    67_B     0.421     0    0.014   1.353     6.289  100.000   66.857
LGA    T    68_B      T    68_B     0.592     0    0.077   0.116     0.881   90.476   90.476
LGA    H    69_B      H    69_B     0.692     0    0.081   1.450     5.976   90.476   68.810
LGA    P    70_B      P    70_B     0.892     0    0.223   0.224     1.770   86.071   87.959
LGA    Y    71_B      Y    71_B     0.342     0    0.029   0.321     0.772   97.619   96.032
LGA    E    72_B      E    72_B     0.503     0    0.009   0.432     2.038   97.619   90.794
LGA    Q    73_B      Q    73_B     0.629     0    0.132   0.214     1.316   88.214   89.471
LGA    T    74_B      T    74_B     0.369     0    0.131   1.063     2.092   92.976   85.714
LGA    G    75_B      G    75_B     0.556     0    0.052   0.052     0.556   95.238   95.238
LGA    Y    76_B      Y    76_B     0.353     0    0.023   0.207     0.547  100.000   98.413
LGA    L    77_B      L    77_B     0.649     0    0.080   0.147     1.354   90.476   87.083
LGA    V    78_B      V    78_B     0.466     0    0.011   0.050     0.810   97.619   95.918
LGA    S    79_B      S    79_B     0.319     0    0.078   0.568     1.752  100.000   93.889
LGA    G    80_B      G    80_B     0.508     0    0.055   0.055     0.528   95.238   95.238
LGA    K    81_B      K    81_B     0.460     0    0.049   0.688     1.880   92.976   83.757
LGA    I    82_B      I    82_B     1.029     0    0.121   1.026     3.183   85.952   78.690
LGA    I    83_B      I    83_B     0.583     0    0.053   0.081     1.172   90.476   89.345
LGA    L    84_B      L    84_B     0.492     0    0.041   0.092     0.681  100.000   95.238
LGA    Y    85_B      Y    85_B     0.283     0    0.058   0.181     1.247  100.000   92.183
LGA    I    86_B      I    86_B     0.680     0    0.044   0.068     0.855   90.476   90.476
LGA    E    87_B      E    87_B     0.652     0    0.055   0.416     1.907   90.476   89.630
LGA    D    88_B      D    88_B     0.661     0    0.029   1.062     3.373   95.238   78.393
LGA    K    89_B      K    89_B     0.126     0    0.071   0.617     3.118   97.619   87.566
LGA    K    90_B      K    90_B     0.409     0    0.025   0.573     3.102  100.000   83.545
LGA    Q    91_B      Q    91_B     0.390     0    0.053   0.617     2.089   97.619   85.079
LGA    Q    92_B      Q    92_B     0.573     0    0.030   0.287     1.934   92.857   87.566
LGA    I    93_B      I    93_B     0.376     0    0.054   0.646     1.881   97.619   91.845
LGA    M    94_B      M    94_B     0.681     0    0.021   1.297     4.101   85.952   72.321
LGA    A    95_B      A    95_B     1.148     0    0.020   0.039     1.286   83.690   85.048
LGA    G    96_B      G    96_B     2.073     0    0.028   0.028     2.311   68.810   68.810
LGA    D    97_B      D    97_B     1.130     0    0.033   0.227     1.809   85.952   82.619
LGA    S    98_B      S    98_B     0.545     0    0.010   0.049     0.887   90.476   92.063
LGA    W    99_B      W    99_B     0.637     0    0.026   0.125     1.064   92.857   91.871
LGA    C   100_B      C   100_B     0.613     0    0.062   0.794     3.021   90.476   83.730
LGA    I   101_B      I   101_B     0.675     0    0.032   0.047     0.992   90.476   90.476
LGA    P   102_B      P   102_B     0.828     0    0.065   0.147     0.892   90.476   90.476
LGA    K   103_B      K   103_B     0.720     0    0.013   1.127     4.274   90.476   80.847
LGA    N   104_B      N   104_B     1.015     0    0.104   0.912     3.500   90.595   75.119
LGA    V   105_B      V   105_B     0.463     0    0.015   0.061     0.751   95.238   94.558
LGA    H   106_B      H   106_B     0.305     0    0.029   1.267     5.459  100.000   71.571
LGA    H   107_B      H   107_B     0.359     0    0.039   0.124     0.832  100.000   96.190
LGA    H   108_B      H   108_B     0.423     0    0.074   1.159     2.591  100.000   88.524
LGA    A   109_B      A   109_B     0.680     0    0.031   0.031     0.815   90.476   90.476
LGA    E   110_B      E   110_B     1.258     0    0.113   1.036     3.282   85.952   79.048
LGA    I   111_B      I   111_B     0.588     0    0.116   0.129     2.020   92.857   82.917
LGA    L   112_B      L   112_B     1.014     0    0.073   0.184     1.707   81.548   83.750
LGA    E   113_B      E   113_B     1.779     0    0.632   1.036     3.390   69.286   73.333
LGA    N   114_B      N   114_B     1.420     0    0.265   1.145     4.741   73.214   65.952
LGA    S   115_B      S   115_B     0.395     0    0.027   0.665     2.828   97.619   89.683
LGA    V   116_B      V   116_B     0.428     0    0.064   0.086     0.766  100.000   95.918
LGA    A   117_B      A   117_B     0.610     0    0.029   0.034     0.680   90.476   90.476
LGA    V   118_B      V   118_B     0.613     0    0.035   0.066     0.820   90.476   90.476
LGA    E   119_B      E   119_B     0.643     0    0.103   0.621     3.679   88.214   79.418
LGA    V   120_B      V   120_B     0.743     0    0.032   0.078     1.526   90.476   85.374
LGA    F   121_B      F   121_B     0.321     0    0.048   0.086     0.450  100.000  100.000
LGA    A   122_B      A   122_B     0.387     0    0.051   0.047     0.508  100.000   98.095
LGA    P   123_B      P   123_B     0.852     0    0.040   0.041     1.080   85.952   86.599
LGA    T   124_B      T   124_B     2.010     0    0.098   0.968     3.400   68.810   66.122
LGA    R   125_B      R   125_B     1.858     0    0.037   0.659     2.048   72.857   74.459
LGA    E   126_B      E   126_B     1.825     0    0.027   0.904     3.475   72.857   68.519
LGA    E   127_B      E   127_B     1.796     0    0.092   0.137     1.927   75.000   73.810
LGA    Y   128_B      Y   128_B     1.563     0    0.201   0.176     1.885   72.857   76.429
LGA    I   129_B      I   129_B     1.434     0    0.085   0.124     2.176   75.119   72.976
LGA    K   130_B      K   130_B     2.451     0    0.127   0.734     5.464   62.976   49.788
LGA    Y   131_B      Y   131_B     3.650     0    0.282   0.293     4.768   42.024   42.897
LGA    L   132_B      L   132_B     3.381     0    0.614   0.562     4.238   53.690   49.405
LGA    D   133_B      D   133_B     6.766     0    0.557   1.370    11.851   12.381    6.250
LGA    R   134_B      R   134_B     9.015     0    0.677   1.287    12.169    3.095    1.299

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     904    904  100.00               118
SUMMARY(RMSD_GDC):     1.838          1.858                  2.550           79.342   74.259

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  112  118    4.0    108    1.23    83.686    88.890     8.111

LGA_LOCAL      RMSD:   1.232  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.865  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   1.838  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.811627 * X  +  -0.561793 * Y  +   0.160156 * Z  + -26.030205
  Y_new =   0.533771 * X  +   0.824587 * Y  +   0.187468 * Z  + -38.469090
  Z_new =  -0.237381 * X  +  -0.066668 * Y  +   0.969126 * Z  + -51.072441 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.581738  0.239669 -0.068684   [DEG:   33.3311   13.7320   -3.9353 ]
ZXZ:  2.434604  0.249134 -1.844592   [DEG:  139.4925   14.2743 -105.6873 ]
 
# END of job
